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• W3105804582 abstract "We use density-functional theory plus dynamical mean-field theory to demonstrate the emergence of a metallic layer at the interface between the two Mott insulators ${mathrm{LaTiO}}_{3}$ and ${mathrm{LaVO}}_{3}$. The metallic layer is due to charge transfer across the interface, which alters the valence state of the transition-metal cations close to the interface. Somewhat counterintuitively, the charge is transferred from the Ti cations with formal ${d}^{1}$ electron configuration to the the V cations with formal ${d}^{2}$ configuration, thereby increasing the occupation difference of the ${t}_{2g}$ states. This can be understood as a result of a gradual transition of the charge-transfer energy, or electronegativity, across the interface. The spatial extension of the metallic layer, in particular toward the ${mathrm{LaTiO}}_{3}$ side, can be controlled by epitaxial strain, with tensile strain leading to a localization within a thickness of only two unit cells. Our results open up a route for creating a tunable quasi-two-dimensional electron gas in materials with strong electronic correlations." @default.
• W3105804582 created "2020-11-23" @default.
• W3105804582 creator A5030225767 @default.
• W3105804582 creator A5069227782 @default.
• W3105804582 date "2019-09-06" @default.
• W3105804582 modified "2023-09-26" @default.
• W3105804582 title "Charge transfer in <mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML><mml:mrow><mml:msub><mml:mi>LaVO</mml:mi><mml:mn>3</mml:mn></mml:msub><mml:mo>/</mml:mo><mml:msub><mml:mi>LaTiO</mml:mi><mml:mn>3</mml:mn></mml:msub></mml:mrow></mml:math> multilayers: Strain-controlled dimensionality of interface metallicity between two Mott insulators" @default.
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• W3105804582 doi "https://doi.org/10.1103/physrevmaterials.3.095001" @default.
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